(2S)-1-N-methylhexane-1,2-diamine

C7H18N2 — CID 89357717

IUPAC(2S)-1-N-methylhexane-1,2-diamine
SMILESCCCC[C@H](N)CNC
InChIInChI=1S/C7H18N2/c1-3-4-5-7(8)6-9-2/h7,9H,3-6,8H2,1-2H3/t7-/m0/s1
InChIKeyXLSFTUPXUYQGAL-ZETCQYMHSA-N
MW130.23 g/mol
LogP0.72
Rot. Bonds5

About (2S)-1-N-methylhexane-1,2-diamine

(2S)-1-N-methylhexane-1,2-diamine (PubChem CID 89357717) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is (2S)-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-methylhexane-1,2-diamine
PubChem CID89357717
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name(2S)-1-N-methylhexane-1,2-diamine
SMILESCCCC[C@H](N)CNC
InChIInChI=1S/C7H18N2/c1-3-4-5-7(8)6-9-2/h7,9H,3-6,8H2,1-2H3/t7-/m0/s1
InChIKeyXLSFTUPXUYQGAL-ZETCQYMHSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-N-methylhexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

icosane-5,10,16-triamine
CID 88870264
1-N,3-dimethylheptane-1,2-diamine
CID 89145874
2-aminohexylurea
CID 171485886
2-(2-aminohexylamino)ethanol
CID 83960481
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
1-N-(2,3,3-trimethylbutyl)hexane-1,2-diamine
CID 83144065
1-N,6-dimethylheptane-1,2,5-triamine
CID 142425880
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-methylhexane-1,2-diamine?
The IUPAC name of (2S)-1-N-methylhexane-1,2-diamine (CID 89357717) is (2S)-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-methylhexane-1,2-diamine?
The canonical SMILES for (2S)-1-N-methylhexane-1,2-diamine is CCCC[C@H](N)CNC.
What is the InChIKey of (2S)-1-N-methylhexane-1,2-diamine?
The InChIKey is XLSFTUPXUYQGAL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-4-5-7(8)6-9-2/h7,9H,3-6,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-N-methylhexane-1,2-diamine?
(2S)-1-N-methylhexane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 89357717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).